| SpectraBase Spectrum ID |
4CeLA33rox7 |
| Name |
1-Methyl-4-(trimethylacetoxy)-3a.alpha.,4.alpha.,5,6-tetrahydroazulen-2(3H)-one |
| Alternate Name(s) |
(3aS,4S)-1-methyl-2-oxo-2,3,3a,4,5,6-hexahydro-4-azulenyl pivalate |
| CAS Registry Number |
112021-67-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H22O3 |
| InChI |
InChI=1S/C16H22O3/c1-10-11-7-5-6-8-14(12(11)9-13(10)17)19-15(18)16(2,3)4/h5,7,12,14H,6,8-9H2,1-4H3/t12-,14-/m0/s1 |
| InChIKey |
SITNQTNMJMBXPS-JSGCOSHPSA-N |
| Molecular Weight |
262.349 g/mol |
| SMILES |
C12=C(C(=O)C[C@@]2([C@@](OC(C(C)(C)C)=O)(CCC=C1)[H])[H])C |
| SPLASH |
splash10-0a4i-6910000000-3ba60880b394ae578519 |
| Source of Spectrum |
J-53-442-0 |
| Wiley ID |
1266139 |
